SCHEMBL9995231

SCHEMBL9995231

OCc1ncccn1.c1c[nH]nn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SORD Q00796 3/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL239378 0.78
SCHEMBL17479461 0.77
SCHEMBL28022074 0.75 ALDH1A1 (0.43) ALDH1A1
Benzyl Alcohol SCHEMBL20268139 0.74 TSHR (0.54)
Alcohol SCHEMBL4207746 0.73
SCHEMBL11903432 0.72 HSP90AA1 (0.55)
SCHEMBL15847403 0.72 ALDH1A1 (0.31) ALDH1A1
Benzene SCHEMBL28097781 0.72
Benzene SCHEMBL487381 0.72
Benzene SCHEMBL28126191 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011159920-A1 [5,6]-DIHYDRO-2H-PYRAN-2-ONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed